opls_nacl_dat = {
"CL": {	"INTX,KFORM":['INT', '1'],
	"atNameList":['CL'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.0000', '0.0000', '0.0000', '0.000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.0000', '0.0000', '0.0000', '0.000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.0000', '90.0000', '0.0000', '0.000']],
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"CL":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 90.0, 'blen': 1.0, 'charge': -1.0, 'type': 'CL'},
	"CUT":['0.000000'],
	"NAMRES":'Chloride Ion',
},
"NAMDBF":'db4.dat',
"filename":'opls_nacl.in',
"NA": {	"INTX,KFORM":['INT', '1'],
	"atNameList":['NA'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.0000', '0.0000', '0.0000', '0.000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.0000', '0.0000', '0.0000', '0.000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.0000', '90.0000', '0.0000', '0.000']],
	"NA":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 90.0, 'blen': 1.0, 'charge': 1.0, 'type': 'SO'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"CUT":['0.000000'],
	"NAMRES":'Sodium Ion',
},
"IDBGEN,IREST,ITYPF":['1', '1', '3'],
}